2H-2,4-benzodiazepine

C9H8N2 — CID 23291061

IUPAC2H-2,4-benzodiazepine
SMILESC1=NC=c2ccccc2=CN1
InChIInChI=1S/C9H8N2/c1-2-4-9-6-11-7-10-5-8(9)3-1/h1-7H,(H,10,11)
InChIKeySEADJJCWSPCSHY-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.21
Rot. Bonds

About 2H-2,4-benzodiazepine

2H-2,4-benzodiazepine (PubChem CID 23291061) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2H-2,4-benzodiazepine.

Molecular Properties

Compound Name2H-2,4-benzodiazepine
PubChem CID23291061
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2H-2,4-benzodiazepine
SMILESC1=NC=c2ccccc2=CN1
InChIInChI=1S/C9H8N2/c1-2-4-9-6-11-7-10-5-8(9)3-1/h1-7H,(H,10,11)
InChIKeySEADJJCWSPCSHY-UHFFFAOYSA-N
XLogP-0.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-2,4-benzodiazepine?
The IUPAC name of 2H-2,4-benzodiazepine (CID 23291061) is 2H-2,4-benzodiazepine.
What is the SMILES notation for 2H-2,4-benzodiazepine?
The canonical SMILES for 2H-2,4-benzodiazepine is C1=NC=c2ccccc2=CN1.
What is the InChIKey of 2H-2,4-benzodiazepine?
The InChIKey is SEADJJCWSPCSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-9-6-11-7-10-5-8(9)3-1/h1-7H,(H,10,11).
What are the key properties of 2H-2,4-benzodiazepine?
2H-2,4-benzodiazepine has a molecular weight of 144.18 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2,4-benzodiazepine is sourced from PubChem (CID 23291061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).